The fluctuating charge method calculates instantateous charges on +
The fluctuating charge method calculates instantaneous charges on interacting atoms based on the electronegativity equalization principle. It is implemented in the fix qeq which is available in several variants. It is a relatively efficient technique diff --git a/doc/Section_howto.txt b/doc/Section_howto.txt index 7180811..a487756 100644 --- a/doc/Section_howto.txt +++ b/doc/Section_howto.txt @@ -2415,7 +2415,7 @@ the adiabatic core-shell method, implemented in the the thermalized Drude dipole method, implemented in the "USER-DRUDE"_#howto_27 package. :l,ule -The fluctuating charge method calculates instantateous charges on +The fluctuating charge method calculates instantaneous charges on interacting atoms based on the electronegativity equalization principle. It is implemented in the "fix qeq"_fix_qeq.html which is available in several variants. It is a relatively efficient technique